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¸ù¾ÝÓ¢ÎÄÔ°æ½Ì³ÌµÄÌáʾ£¬These versions of VASP support solvation calculations out of the box. The only thing that the user needs to do is to update the solvation routines by Sample Text. ÎÒµÄÀí½âÊÇÊ×ÏȰÑVASPsol/src/solvation.FÎļþ¿½±´µ½src/Îļþ¼ÐÄÚ¼´vasp.5.4.X/src/£¬²¢ÇÒ½ÓÏÂÀ´¾ÍÖ´ÐÐÔʼVASPµÄ±àÒë°²×°ÃüÁî¾ÍºÃÁË£¬ÇëÎÊÎÒÕâÑùÀí½âÊÇÔÚÕýÈ·µÄÂð£¿Ð»Ð»´ó¼ÒÁË |
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qiqiangong
Ìú³æ (ÕýʽдÊÖ)
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- ½ð±Ò: 47
- É¢½ð: 10
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- Ìû×Ó: 340
- ÔÚÏß: 64.1Сʱ
- ³æºÅ: 8567472
- ×¢²á: 2018-04-19
- רҵ: ÀíÂۺͼÆË㻯ѧ
3Â¥2019-10-23 22:21:50
qiqiangong
Ìú³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 47
- É¢½ð: 10
- ºì»¨: 2
- Ìû×Ó: 340
- ÔÚÏß: 64.1Сʱ
- ³æºÅ: 8567472
- ×¢²á: 2018-04-19
- רҵ: ÀíÂۺͼÆË㻯ѧ
|
Ó¢ÎÄÔ°æµÄ¸´ÖƼӴÖʱÓеãÎÊÌ⣬ÏÂÃæÊÇÕýʽµÄÔÎÄ£º These versions of VASP support solvation calculations out of the box. The only thing that the user needs to do is to update the solvation routines by copying the VASPsol/src/solvation.F file to the src/ folder in the original VASP folder, vasp.5.4.X/src/ and follow the install instructions for the compilation of the original VASP. |
2Â¥2019-10-23 22:20:52
qiqiangong
Ìú³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 47
- É¢½ð: 10
- ºì»¨: 2
- Ìû×Ó: 340
- ÔÚÏß: 64.1Сʱ
- ³æºÅ: 8567472
- ×¢²á: 2018-04-19
- רҵ: ÀíÂۺͼÆË㻯ѧ
4Â¥2019-10-23 22:22:37
qiqiangong
Ìú³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 47
- É¢½ð: 10
- ºì»¨: 2
- Ìû×Ó: 340
- ÔÚÏß: 64.1Сʱ
- ³æºÅ: 8567472
- ×¢²á: 2018-04-19
- רҵ: ÀíÂۺͼÆË㻯ѧ
5Â¥2019-10-23 22:54:44









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